SCHEMBL7013326

SCHEMBL7013326

O=C(Nc1ccc2c(c1)C1CCCN1CC2)Oc1ccc2c(c1)C(=O)CCO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR119 Q8TDV5 1/20 0.39
GRM5 P41594 1/20 0.37
MTNR1B P49286 2/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7099787 0.80 CHRNA7 (0.45) CNR1CNR2MTNR1BCHRNA7
SCHEMBL7017829 0.75 CHRM5 (0.42) CNR1CNR2
SCHEMBL7555526 0.71 CNR1 (0.51) CNR1CNR2MTNR1BCHRNA7
SCHEMBL7017907 0.71 HRH3 (0.39) MTNR1BCHRNA7
SCHEMBL8218668 0.68 NPC1 (0.59) MTNR1BMEN1TSHRKMT2ACHRNA7
SCHEMBL7519048 0.67 CHRNA7 (0.50) CNR1CNR2CHRNA7
SCHEMBL15092129 0.67 GRM5 (0.53) GRM5MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL8216489 0.67 NPC1 (0.58) MTNR1BMEN1TSHRKMT2ACHRNA7
SCHEMBL11904103 0.66 GPR119 (0.55) GPR119ACHEMAPT
SCHEMBL6832862 0.66 ALDH1A1 (0.56) GRM5MEN1KMT2AALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed